8-(4-bromophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-bromophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-bromophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0068 |
| Compound Name: | 8-(4-bromophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 475.73 |
| Molecular Formula: | C20 H16 Br Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])Oc2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4902 |
| logD: | 5.4902 |
| logSw: | -5.8776 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | YLLTUYLJKYGNDR-UHFFFAOYSA-N |